1-[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-methoxymethanimine

C18H20Cl2N2O2 — CID 3416103

IUPAC1-[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-methoxymethanimine
SMILESCON=CC1=C(N2CCOCC2)C(=Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C18H20Cl2N2O2/c1-23-21-12-15-3-2-14(18(15)22-6-8-24-9-7-22)10-13-4-5-16(19)11-17(13)20/h4-5,10-12H,2-3,6-9H2,1H3
InChIKeyVVIDCFSVEDYMAT-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.39
Rot. Bonds4

About 1-[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-methoxymethanimine

1-[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-methoxymethanimine (PubChem CID 3416103) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 1-[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-methoxymethanimine.

Molecular Properties

Compound Name1-[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-methoxymethanimine
PubChem CID3416103
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name1-[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-methoxymethanimine
SMILESCON=CC1=C(N2CCOCC2)C(=Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C18H20Cl2N2O2/c1-23-21-12-15-3-2-14(18(15)22-6-8-24-9-7-22)10-13-4-5-16(19)11-17(13)20/h4-5,10-12H,2-3,6-9H2,1H3
InChIKeyVVIDCFSVEDYMAT-UHFFFAOYSA-N
XLogP4.39
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylthiourea
CID 3641057
N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-[(3E)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methanimine
CID 2321936
ethyl 2-[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-2-oxoacetate
CID 5098689
(3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide
CID 2308680
(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde
CID 2322917
1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine
CID 4829730
N-[(E)-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 6905178
1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea
CID 129432047
3,4-dichloro-N-[(E)-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]aniline
CID 42917264
(E)-4-[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-1,1,1-trifluorobut-3-en-2-one
CID 2306752
N-(5-chloro-2-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine
CID 126246715
N-[[3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydroxylamine
CID 23876396

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-methoxymethanimine?
The IUPAC name of 1-[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-methoxymethanimine (CID 3416103) is 1-[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-methoxymethanimine.
What is the SMILES notation for 1-[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-methoxymethanimine?
The canonical SMILES for 1-[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-methoxymethanimine is CON=CC1=C(N2CCOCC2)C(=Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-methoxymethanimine?
The InChIKey is VVIDCFSVEDYMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-23-21-12-15-3-2-14(18(15)22-6-8-24-9-7-22)10-13-4-5-16(19)11-17(13)20/h4-5,10-12H,2-3,6-9H2,1H3.
What are the key properties of 1-[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-methoxymethanimine?
1-[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-methoxymethanimine has a molecular weight of 367.28 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,4-dichlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-N-methoxymethanimine is sourced from PubChem (CID 3416103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).